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145513-90-2 | 1H-Indole-2-carboxylic acid, octahydro-, (2S,3aR,7aR)-
CAS No: 145513-90-2 Catalog No: AG001D4V MDL No:MFCD18432550
Product Description
Catalog Number:
AG001D4V
Chemical Name:
1H-Indole-2-carboxylic acid, octahydro-, (2S,3aR,7aR)-
CAS Number:
145513-90-2
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD18432550
IUPAC Name:
(2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8+/m1/s1
InChI Key:
CQYBNXGHMBNGCG-PRJMDXOYSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H]2[C@H](N1)CCCC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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